N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide

C16H27NO2 — CID 144515523

IUPACN-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide
SMILESC=CCCCC(=O)NC/C(C)=C\CCC(C=C)OC
InChIInChI=1S/C16H27NO2/c1-5-7-8-12-16(18)17-13-14(3)10-9-11-15(6-2)19-4/h5-6,10,15H,1-2,7-9,11-13H2,3-4H3,(H,17,18)/b14-10-
InChIKeyOVVFAYYFYLQBNE-UVTDQMKNSA-N
MW265.40 g/mol
LogP3.39
Rot. Bonds11

About N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide

N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide (PubChem CID 144515523) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide.

Molecular Properties

Compound NameN-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide
PubChem CID144515523
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide
SMILESC=CCCCC(=O)NC/C(C)=C\CCC(C=C)OC
InChIInChI=1S/C16H27NO2/c1-5-7-8-12-16(18)17-13-14(3)10-9-11-15(6-2)19-4/h5-6,10,15H,1-2,7-9,11-13H2,3-4H3,(H,17,18)/b14-10-
InChIKeyOVVFAYYFYLQBNE-UVTDQMKNSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(E)-6-oxo-9-propan-2-yloxynon-7-enyl]prop-2-enamide
CID 58451747
(7E,9S,10S,11R,12Z)-9-methoxy-10,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 58811364
(3Z,5E)-5-ethoxy-7-methylidene-1,2,8,9-tetrahydroazecin-10-one
CID 89591584
(E)-N-[(E)-4-methoxybut-2-enyl]non-6-enamide
CID 89820634
N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide
CID 134460264
(7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one
CID 142948489
(7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 142948494
(7E,9R,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one
CID 143159507
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
CID 144515520
(6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one
CID 144515544
(7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 144515547
(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one
CID 144515567

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide?
The IUPAC name of N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide (CID 144515523) is N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide.
What is the SMILES notation for N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide?
The canonical SMILES for N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide is C=CCCCC(=O)NC/C(C)=C\CCC(C=C)OC.
What is the InChIKey of N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide?
The InChIKey is OVVFAYYFYLQBNE-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-7-8-12-16(18)17-13-14(3)10-9-11-15(6-2)19-4/h5-6,10,15H,1-2,7-9,11-13H2,3-4H3,(H,17,18)/b14-10-.
What are the key properties of N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide?
N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide has a molecular weight of 265.40 g/mol, XLogP of 3.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide is sourced from PubChem (CID 144515523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).